3-(3,5-dichlorophenoxy)-5-methylaniline

C13H11Cl2NO — CID 112648434

IUPAC3-(3,5-dichlorophenoxy)-5-methylaniline
SMILESCc1cc(N)cc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO/c1-8-2-11(16)7-12(3-8)17-13-5-9(14)4-10(15)6-13/h2-7H,16H2,1H3
InChIKeySWJMFLRZLHNFEH-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.68
Rot. Bonds2

About 3-(3,5-dichlorophenoxy)-5-methylaniline

3-(3,5-dichlorophenoxy)-5-methylaniline (PubChem CID 112648434) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-5-methylaniline
PubChem CID112648434
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-(3,5-dichlorophenoxy)-5-methylaniline
SMILESCc1cc(N)cc(Oc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H11Cl2NO/c1-8-2-11(16)7-12(3-8)17-13-5-9(14)4-10(15)6-13/h2-7H,16H2,1H3
InChIKeySWJMFLRZLHNFEH-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-5-methylaniline?
The IUPAC name of 3-(3,5-dichlorophenoxy)-5-methylaniline (CID 112648434) is 3-(3,5-dichlorophenoxy)-5-methylaniline.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-5-methylaniline?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-5-methylaniline is Cc1cc(N)cc(Oc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-5-methylaniline?
The InChIKey is SWJMFLRZLHNFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-2-11(16)7-12(3-8)17-13-5-9(14)4-10(15)6-13/h2-7H,16H2,1H3.
What are the key properties of 3-(3,5-dichlorophenoxy)-5-methylaniline?
3-(3,5-dichlorophenoxy)-5-methylaniline has a molecular weight of 268.14 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-5-methylaniline is sourced from PubChem (CID 112648434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).